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Home > Imidazoles > 88166-66-9
88166-66-9 | 2H-Imidazol-2-one,1,3-dihydro-4-(4-pyridinylcarbonyl)-
CAS No: 88166-66-9 Catalog No: AG004H1L MDL No:
Product Description
Catalog Number:
AG004H1L
Chemical Name:
2H-Imidazol-2-one,1,3-dihydro-4-(4-pyridinylcarbonyl)-
CAS Number:
88166-66-9
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
IUPAC Name:
4-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one
InChI:
InChI=1S/C9H7N3O2/c13-8(6-1-3-10-4-2-6)7-5-11-9(14)12-7/h1-5H,(H2,11,12,14)
InChI Key:
QPMMUGRPEYWUNZ-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c(=O)[nH]1)c1ccncc1
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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